<i>In silico</i> design of single transition metal atom anchored defective boron carbide monolayers as high-performance electrocatalysts for the nitrogen reduction reaction
Jianxin Ou, Xuxin Kang, Xiangmei Duan
Abstract
Development of low-cost and high-efficiency single atom catalysts (SACs) is essential for catalyzing nitrogen reduction reactions (NRR) under ambient conditions.
Topics & Concepts
MonolayerBoronTransition metalIn silicoBoron carbideMaterials scienceNitrogen atomNitrogenCarbideReduction (mathematics)MetalAtom (system on chip)Combinatorial chemistryChemistryNanotechnologyInorganic chemistryCatalysisMetallurgyOrganic chemistryComputer scienceBiochemistryRing (chemistry)MathematicsGeneEmbedded systemGeometryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesElectrocatalysts for Energy Conversion